N-[1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-6-bromanyl-1H-indole-2-carboxamide

Systemtic Name: N-[1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-6-bromanyl-1H-indole-2-carboxamide Openeye Name: N-[1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-6-bromo-1H-indole-2-carboxamide CAS Name: N-[1-(1H-benzimidazol-2-yl)-3-(methylthio)propyl]-6-bromo-1H-indole-2-carboxamide IUPAC Name: N-[1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]-6-bromo-1H-indole-2-carboxamide Traditional Name: N-[1-(1H-benzimidazol-2-yl)-3-(methylthio)propyl]-6-bromo-1H-indole-2-carboxamide Formula: C20H19BrN4OS MolecularWeight: 443.36006

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C1=NC2=CC=CC=C2N1)NC(=O)C3=CC4=C(N3)C=C(C=C4)Br

Isomeric SMILES

CSCCC(C1=NC2=CC=CC=C2N1)NC(=O)C3=CC4=C(N3)C=C(C=C4)Br

InChI

InChI=1S/C20H19BrN4OS/c1-27-9-8-16(19-23-14-4-2-3-5-15(14)24-19)25-20(26)18-10-12-6-7-13(21)11-17(12)22-18/h2-7,10-11,16,22H,8-9H2,1H3,(H,23,24)(H,25,26)